Geometry & MOs

Info

ID:	148882
PubChem CID:	53788552
Reduced:	N4O6H18C23 (1)
Stoich.:	A4B6C18D23 (1)
Weight, g/mol:	475.307993
ΔH_f, kcal/mol:	68.92
Dipole, Da:	3.39
IP(EA), eV:	-9.34(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N-hydroxy-5-methyl-2-[[methyl(octylsulfonyl)amino]methyl]-3-(piperidine-1-carbonyl)hexanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations